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3-Benzylphenylboronic acid pinacol ester - 95%, high purity , CAS No.1073355-05-1

COA

Grade & Purity:

≥95%

Cas Number: 1073355-05-1
Molecular Weight: 294.2
PubChem CID: 46739037

In stock

Item Number

B179263

Grouped product items
SKU	Size	Availability	Price	Qty
B179263-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$101.90
B179263-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$293.90

Basic Description

Synonyms	3-Benzylbenzeneboronic acid, pinacol ester \| 3-Benzylbenzeneboronic acid pinacol ester \| 1073355-05-1 \| MFCD09266179 \| YSB35505 \| A907782 \| 3-Benzylbenzeneboronic acid pinacol ester, AldrichCPR \| 2-(3-Benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI	InChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-8-11-16(14-17)13-15-9-6-5-7-10-15/h5-12,14H,13H2,1-4H3
InChIKey	VNZSTZMLJUPNQM-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3
Molecular Weight	294.2
Reaxy-Rn	24101736
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24101736&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	294.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	294.179 Da
Monoisotopic Mass	294.179 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	358.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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